trans-4-(4-Bromophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexanol

C₂₂H₂₈BrNOCAS 77239-98-6402.38 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Tertiary amine

Properties

Molecular formula: C₂₂H₂₈BrNO
Molar mass: 402.38 g/mol
Exact mass: 401.1354 Da
logP: 5.14Crippen estimate
Polar surface area: 23.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 5
Stereocentres: s, rin SMILES atom order

Identifiers

CAS number

77239-98-6

SMILES

CN(C)[C@]1(c2ccc(Br)cc2)CC[C@](O)(CCc2ccccc2)CC1

InChIKey

PRSUTWWKYIVBEU-HZCBDIJENA-N

InChI

InChI=1/C22H28BrNO/c1-24(2)22(19-8-10-20(23)11-9-19)16-14-21(25,15-17-22)13-12-18-6-4-3-5-7-18/h3-11,25H,12-17H2,1-2H3/t21-,22-

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Names and synonyms

3 names

Cyclohexanol, 4-(4-bromophenyl)-4-(dimethylamino)-1-(2-phenylethyl)-, trans-
BDPC
Bromadol

Work with trans-4-(4-Bromophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Bromo-4-pentylbenzene51554-95-133 % similar 4-(4-Bromophenyl)-4-hydroxypiperidine57988-58-633 % similar 1-Bromo-4-dodecylbenzene126930-72-133 % similar 1-Bromo-4-nonylbenzene51554-94-033 % similar 2-(4-Bromophenyl)ethanol4654-39-133 % similar 1-(4-Bromophenyl)cyclopropanecarbonitrile124276-67-132 % similar Cebranopadol863513-91-132 % similar 4-(Phenylmethyl)-4-piperidinol51135-96-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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